Design of a systemic small molecule clinical STING agonist using physics-based simulations and artificial intelligence
B. K. Allen, M. M. Kulkarni, B. Chamberlain, T. Dwight, C. Koh, R. Samant, F. Jernigan, J. Rice, D. Tan, S. Li, K. Marino, H. Huang, E. Chiswick, B. Tesar, S. Sparks, , W. Sherman
This paper designs a small molecule STING agonist, SNX281, using computational methods and AI, showing systemic activity and antitumor effects in mice.
bioRxiv · May 23, 2022 · PreprintCancer Biology